SCHEMBL24008355

SCHEMBL24008355

CCc1cc2c(cc1C(C)(C)C)OCO2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.38
PTGS2 P35354 6/20 0.37
PTGS1 P23219 5/20 0.37
ALOX5 P09917 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
BRD7 Q9NPI1 1/20 0.35
HSPA5 P11021 1/20 0.34
CYP1A2 P05177 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6364660 0.83 CYP3A4 (0.39) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL6436185 0.80 MAPT (0.46) ALDH1A1LMNAMAPK1MAPTCYP3A4
SCHEMBL12827122 0.76 PTGS1 (0.32) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL18308983 0.75 ALOX5 (0.38) ALDH1A1SMN1; SMN2MAPTALOX5L3MBTL1
SCHEMBL22792437 0.74 HTR1D (0.39)
SCHEMBL4135020 0.73 CYP3A4 (0.33) ALDH1A1LMNAMAPK1SMN1; SMN2ALOX5
SCHEMBL21363801 0.73 ALOX15 (0.56) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL4995839 0.73 MAPT (0.43) ALDH1A1MAPK1SMN1; SMN2MAPTL3MBTL1
SCHEMBL12203329 0.73 PTGS2 (0.37) ALDH1A1LMNAMAPTPTGS2PTGS1
SCHEMBL8248216 0.73 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPTCYP3A4HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337971-B2 Dopamine D3 receptor selective antagonists/partial agonists and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-05-24 US disclosed
US-20210346373-A1 DOPAMINE D3 RECEPTOR SELECTIVE ANTAGONISTS/PARTIAL AGONISTS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-11-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210346373-A1 DOPAMINE D3 RECEPTOR SELECTIVE ANTAGONISTS/PARTIAL AGONISTS AND USES THEREOF OPRD1, OPRK1, DRD3 ALDH1A1 658/4885LMNA 4834/4885MAPK1 3154/4885
US-11337971-B2 Dopamine D3 receptor selective antagonists/partial agonists and uses thereof OPRD1, OPRK1, DRD3 ALDH1A1 658/4885LMNA 4834/4885MAPK1 3154/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.